#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8x h SER 5 N 0.00 0.00 0.97 1.96 0.02 -2.01 -3.24 113.55 111.24 2j8x h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2j8x h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2j8x h SER 5 CO 0.00 0.81 0.00 -0.90 -1.14 0.00 0.00 176.83 175.60 2j8x n ASP 6 N -3.34 0.74 0.07 3.07 3.85 -1.26 -1.16 116.55 118.52 2j8x n ASP 6 Ca 0.01 0.64 -0.11 0.00 -0.71 0.00 0.00 54.79 54.62 2j8x n ASP 6 Cb 0.85 -0.81 -0.13 0.00 -1.35 0.00 0.00 41.12 39.67 2j8x n ASP 6 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2j8x h ILE 7 N 0.00 1.49 -0.08 2.12 2.10 -2.00 -2.14 117.51 119.00 2j8x h ILE 7 Ca 0.00 -3.16 -0.23 0.00 1.08 0.00 0.00 64.86 62.55 2j8x h ILE 7 Cb 0.48 2.83 0.01 0.00 -1.09 0.00 0.00 36.82 39.05 2j8x h ILE 7 CO 0.00 0.88 -0.87 0.40 -1.08 0.00 0.00 178.15 177.48 2j8x h ILE 8 N 0.03 1.30 -0.51 2.19 2.04 -1.61 -2.50 117.51 118.45 2j8x h ILE 8 Ca -0.11 -2.12 0.10 0.00 1.00 0.00 0.00 64.86 63.73 2j8x h ILE 8 Cb 1.89 2.16 -0.10 0.00 -0.74 0.00 0.00 36.82 40.03 2j8x h ILE 8 CO 0.15 0.66 -0.21 -0.08 0.00 0.00 0.00 178.15 178.67 2j8x h GLU 9 N 0.43 -0.09 -0.11 2.37 4.57 -1.15 -2.14 114.58 118.46 2j8x h GLU 9 Ca -0.08 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2j8x h GLU 9 Cb 1.50 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2j8x h GLU 9 CO 0.17 -0.06 0.00 -0.22 -1.18 0.00 0.00 179.01 177.72 2j8x h LYS 10 N -0.10 0.19 0.00 1.92 1.63 -1.37 0.70 116.57 119.55 2j8x h LYS 10 Ca 0.24 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2j8x h LYS 10 Cb 0.47 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2j8x h LYS 10 CO -0.58 0.43 0.00 0.93 -3.45 0.00 0.00 179.45 176.79 2j8x h GLU 11 N -0.07 0.00 0.00 1.90 4.39 -1.26 -3.34 114.58 116.20 2j8x h GLU 11 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2j8x h GLU 11 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2j8x h GLU 11 CO 0.01 0.00 -0.89 0.25 -1.16 0.00 0.00 179.01 177.22 2j8x n THR 12 N -2.96 0.00 0.00 1.13 -2.24 -0.82 -5.03 114.28 104.35 2j8x n THR 12 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2j8x n THR 12 Cb 0.31 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2j8x n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j8x n GLY 13 N 3.25 3.00 3.70 3.38 0.00 0.24 -5.05 105.19 113.72 2j8x n GLY 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2j8x n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j8x s LYS 14 N -0.46 4.43 -1.31 1.61 1.02 -1.26 -4.94 119.74 118.84 2j8x s LYS 14 Ca 0.00 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 57.49 2j8x s LYS 14 Cb 0.00 -3.44 0.09 0.00 -0.52 0.00 0.00 37.83 33.96 2j8x s LYS 14 CO 0.00 -0.28 1.77 0.94 -0.92 0.00 0.00 175.35 176.86 2j8x n GLN 15 N 4.35 3.20 -4.13 1.68 7.27 -1.26 -4.17 117.38 124.32 2j8x n GLN 15 Ca 0.09 -3.30 -0.31 0.00 0.07 0.00 0.00 57.00 53.55 2j8x n GLN 15 Cb 0.47 -3.33 -0.07 0.00 2.41 0.00 0.00 30.24 29.71 2j8x n GLN 15 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2j8x s LEU 16 N 3.07 3.66 0.08 1.69 1.43 -1.26 -5.11 118.68 122.24 2j8x s LEU 16 Ca 0.50 -0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2j8x s LEU 16 Cb 0.05 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 2j8x s LEU 16 CO 0.03 0.21 0.41 -0.69 0.23 0.00 0.00 176.35 176.54 2j8x s VAL 17 N -1.27 5.09 -0.21 -1.59 1.01 -1.26 -4.84 120.40 117.32 2j8x s VAL 17 Ca 0.25 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 2j8x s VAL 17 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2j8x s VAL 17 CO 0.17 0.28 1.34 -0.63 0.00 0.00 0.00 175.10 176.26 2j8x s ILE 18 N -1.41 4.12 -0.01 2.22 1.01 -1.26 -4.68 121.20 121.19 2j8x s ILE 18 Ca 0.34 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.37 2j8x s ILE 18 Cb -0.14 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.12 2j8x s ILE 18 CO 0.18 -0.26 0.79 1.56 0.00 0.00 0.00 174.94 177.21 2j8x h GLN 19 N 8.94 0.06 -2.82 2.79 4.20 -1.85 -3.48 115.11 122.95 2j8x h GLN 19 Ca -0.28 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.24 2j8x h GLN 19 Cb 1.11 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.76 2j8x h GLN 19 CO 0.99 0.76 -0.06 -1.83 -0.67 0.00 0.00 178.83 178.02 2j8x s GLU 20 N -2.62 0.92 -0.28 1.46 -1.05 -1.15 -5.04 118.70 110.95 2j8x s GLU 20 Ca -0.06 -0.21 -0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2j8x s GLU 20 Cb 0.08 0.42 0.09 0.00 -0.44 0.00 0.00 34.13 34.27 2j8x s GLU 20 CO 0.82 -0.31 0.06 -1.12 0.95 0.00 0.00 175.26 175.66 2j8x s SER 21 N -1.76 3.85 -0.21 0.83 0.01 -1.26 -1.42 113.70 113.75 2j8x s SER 21 Ca -0.08 -1.45 -0.09 0.00 1.31 0.00 0.00 55.95 55.64 2j8x s SER 21 Cb -0.01 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 2j8x s SER 21 CO 0.01 -0.36 0.12 -0.63 0.41 0.00 0.00 173.24 172.79 2j8x s ILE 22 N 1.56 5.19 -0.24 1.44 -1.09 -0.71 -4.80 121.20 122.55 2j8x s ILE 22 Ca 0.05 0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 2j8x s ILE 22 Cb -0.18 -3.38 -0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2j8x s ILE 22 CO -0.17 0.41 0.84 -0.22 -1.23 0.00 0.00 174.94 174.56 2j8x s LEU 23 N 0.66 4.08 0.25 2.97 2.96 -1.26 0.50 118.68 128.85 2j8x s LEU 23 Ca 0.06 1.04 0.12 0.00 -0.22 0.00 0.00 54.13 55.13 2j8x s LEU 23 Cb -0.12 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.32 2j8x s LEU 23 CO 0.01 -0.53 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.28 2j8x s MET 24 N 2.86 1.68 0.51 1.98 -1.94 0.74 -4.98 119.30 120.15 2j8x s MET 24 Ca 0.35 -1.67 -0.10 0.00 -1.71 0.00 0.00 55.69 52.56 2j8x s MET 24 Cb -0.15 -1.82 -0.05 0.00 2.01 0.00 0.00 34.83 34.82 2j8x s MET 24 CO 0.07 0.35 0.88 -0.51 -0.01 0.00 0.00 175.02 175.81 2j8x s LEU 25 N -3.28 3.56 0.30 -0.03 1.02 -1.26 -1.12 118.68 117.87 2j8x s LEU 25 Ca 0.28 1.20 0.04 0.00 0.02 0.00 0.00 54.13 55.67 2j8x s LEU 25 Cb -0.06 -4.17 0.67 0.00 0.02 0.00 0.00 46.19 42.65 2j8x s LEU 25 CO 0.14 -0.62 1.81 -0.65 0.02 0.00 0.00 176.35 177.05 2j8x h PRO 26 N 0.41 0.83 -0.63 1.29 0.11 -1.87 -1.55 132.00 130.59 2j8x h PRO 26 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2j8x h PRO 26 Cb 1.19 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2j8x h PRO 26 CO 0.62 0.55 0.24 0.93 -0.21 0.00 0.00 178.00 180.13 2j8x h GLU 27 N 0.86 0.96 -0.61 1.05 3.07 -1.93 0.21 114.58 118.18 2j8x h GLU 27 Ca 0.54 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 2j8x h GLU 27 Cb 0.72 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 2j8x h GLU 27 CO -0.32 0.82 0.08 0.93 -1.40 0.00 0.00 179.01 179.12 2j8x h GLU 28 N 0.89 1.00 -0.02 2.33 5.08 -1.70 -2.20 114.58 119.97 2j8x h GLU 28 Ca 0.21 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2j8x h GLU 28 Cb 0.23 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2j8x h GLU 28 CO -0.01 0.93 -0.46 0.28 -1.00 0.00 0.00 179.01 178.75 2j8x h VAL 29 N 0.94 1.46 -0.78 3.13 2.07 -1.11 -3.24 116.25 118.71 2j8x h VAL 29 Ca 0.19 -1.98 0.11 0.00 0.82 0.00 0.00 66.70 65.83 2j8x h VAL 29 Cb 0.43 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 2j8x h VAL 29 CO 0.01 0.57 0.51 -0.08 0.02 0.00 0.00 177.57 178.60 2j8x h GLU 30 N -0.22 0.65 -0.01 1.57 4.81 -0.56 0.78 114.58 121.60 2j8x h GLU 30 Ca -0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2j8x h GLU 30 Cb 1.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2j8x h GLU 30 CO 0.09 0.43 0.04 0.93 -0.73 0.00 0.00 179.01 179.77 2j8x h GLU 31 N 0.66 0.00 0.00 1.92 5.08 -1.41 -2.21 114.58 118.62 2j8x h GLU 31 Ca 0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.50 2j8x h GLU 31 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2j8x h GLU 31 CO -0.14 0.00 -1.72 0.28 -1.00 0.00 0.00 179.01 176.43 2j8x n VAL 32 N -3.25 0.85 -0.01 3.13 0.31 0.09 -4.76 118.33 114.69 2j8x n VAL 32 Ca -0.03 -0.17 -0.16 0.00 -0.01 0.00 0.00 64.34 63.98 2j8x n VAL 32 Cb 0.11 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.27 2j8x n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2j8x h ILE 33 N -0.53 1.30 0.00 2.52 1.08 -1.13 -3.47 117.51 117.28 2j8x h ILE 33 Ca -0.34 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2j8x h ILE 33 Cb 1.26 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 2j8x h ILE 33 CO -0.21 0.62 0.00 0.61 -0.69 0.00 0.00 178.15 178.49 2j8x n GLY 34 N 0.64 0.53 3.30 5.37 0.00 -0.83 -5.06 105.19 109.14 2j8x n GLY 34 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2j8x n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j8x s ASN 35 N -2.86 2.70 -0.27 1.61 0.02 -1.26 -5.06 114.94 109.83 2j8x s ASN 35 Ca 0.00 -0.67 -0.09 0.00 -1.02 0.00 0.00 52.86 51.08 2j8x s ASN 35 Cb 0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 41.25 41.06 2j8x s ASN 35 CO 0.00 0.11 0.13 -0.75 0.02 0.00 0.00 177.10 176.61 2j8x s LYS 36 N -1.78 3.72 0.52 -0.60 2.20 -1.26 -3.73 119.74 118.80 2j8x s LYS 36 Ca 0.08 -0.46 -0.20 0.00 -0.36 0.00 0.00 55.97 55.04 2j8x s LYS 36 Cb -0.10 -3.50 -0.07 0.00 -1.51 0.00 0.00 37.83 32.65 2j8x s LYS 36 CO 0.04 -0.23 1.10 -1.25 -0.36 0.00 0.00 175.35 174.65 2j8x s PRO 37 N 1.67 3.54 0.00 4.03 0.04 -1.26 -4.94 135.00 138.08 2j8x s PRO 37 Ca 0.06 1.52 0.24 0.00 0.04 0.00 0.00 61.00 62.87 2j8x s PRO 37 Cb -0.16 -2.05 1.22 0.00 0.04 0.00 0.00 34.50 33.55 2j8x s PRO 37 CO 0.07 -0.68 1.80 0.39 0.04 0.00 0.00 177.00 178.62 2j8x n GLU 38 N -1.15 0.33 -0.78 4.56 1.02 -1.26 -4.81 120.64 118.56 2j8x n GLU 38 Ca 0.11 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2j8x n GLU 38 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2j8x n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2j8x n SER 39 N -1.29 0.00 -4.64 1.62 2.88 -1.26 -5.09 113.62 105.84 2j8x n SER 39 Ca 0.11 -0.76 -0.33 0.00 -1.33 0.00 0.00 58.87 56.56 2j8x n SER 39 Cb 0.20 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.78 2j8x n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2j8x n ASP 40 N -0.75 0.40 -4.05 -3.46 8.00 -1.26 -4.27 116.55 111.16 2j8x n ASP 40 Ca 0.00 0.54 -0.24 0.00 0.71 0.00 0.00 54.79 55.80 2j8x n ASP 40 Cb 0.00 -1.45 -0.16 0.00 -0.02 0.00 0.00 41.12 39.49 2j8x n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2j8x s ILE 41 N -2.20 1.14 -0.22 0.53 -1.09 -0.27 -3.49 121.20 115.60 2j8x s ILE 41 Ca 0.70 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 2j8x s ILE 41 Cb -0.28 -1.02 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 2j8x s ILE 41 CO 0.54 0.35 0.47 -0.76 -1.23 0.00 0.00 174.94 174.31 2j8x s LEU 42 N 0.43 4.12 -0.75 2.97 1.43 0.16 -0.19 118.68 126.85 2j8x s LEU 42 Ca -0.10 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 2j8x s LEU 42 Cb -0.13 -2.62 0.16 0.00 0.03 0.00 0.00 46.19 43.62 2j8x s LEU 42 CO 0.03 -0.18 0.80 -0.69 0.23 0.00 0.00 176.35 176.54 2j8x s VAL 43 N 1.74 5.15 -0.32 -1.59 1.01 0.18 -1.19 120.40 125.39 2j8x s VAL 43 Ca 0.21 -1.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.17 2j8x s VAL 43 Cb -0.15 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.71 2j8x s VAL 43 CO 0.09 -1.14 1.01 -1.00 0.00 0.00 0.00 175.10 174.05 2j8x s HIS 44 N 1.60 3.16 0.04 5.22 0.09 -0.07 -1.73 115.29 123.60 2j8x s HIS 44 Ca 0.18 1.10 0.03 0.00 -0.00 0.00 0.00 55.06 56.37 2j8x s HIS 44 Cb -0.15 -3.58 -0.02 0.00 -0.00 0.00 0.00 32.58 28.82 2j8x s HIS 44 CO -0.03 -0.72 -0.10 -0.08 -0.00 0.00 0.00 174.74 173.80 2j8x s THR 45 N 3.49 0.77 0.01 1.30 -1.32 -0.51 0.14 115.64 119.52 2j8x s THR 45 Ca 0.42 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2j8x s THR 45 Cb -0.13 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.10 2j8x s THR 45 CO 0.15 -0.20 -0.02 0.00 -2.21 0.00 0.00 174.62 172.33 2j8x s ALA 46 N -1.09 0.14 -0.47 11.08 0.00 0.52 -2.23 121.76 129.72 2j8x s ALA 46 Ca -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.55 2j8x s ALA 46 Cb -0.09 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.11 2j8x s ALA 46 CO 0.01 -0.01 0.44 -0.47 0.00 0.00 0.00 175.76 175.73 2j8x s TYR 47 N -0.38 3.19 -0.57 0.00 5.04 -1.26 0.01 117.35 123.39 2j8x s TYR 47 Ca -0.03 -0.76 -0.28 0.00 -2.44 0.00 0.00 57.07 53.56 2j8x s TYR 47 Cb -0.03 -3.16 0.01 0.00 0.35 0.00 0.00 41.96 39.13 2j8x s TYR 47 CO -0.00 -0.82 1.49 0.34 -1.34 0.00 0.00 175.55 175.22 2j8x s ASP 48 N 2.45 6.00 0.34 4.32 -1.08 -0.25 -4.87 116.67 123.58 2j8x s ASP 48 Ca 0.07 0.30 0.16 0.00 -0.52 0.00 0.00 52.55 52.56 2j8x s ASP 48 Cb -0.22 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.28 2j8x s ASP 48 CO 0.09 -1.81 1.70 -0.08 0.52 0.00 0.00 175.17 175.59 2j8x h GLU 49 N 11.61 0.00 -0.67 4.34 4.81 -1.96 -0.92 114.58 131.80 2j8x h GLU 49 Ca -0.27 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 2j8x h GLU 49 Cb 1.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2j8x h GLU 49 CO 1.18 0.45 0.18 0.66 -0.73 0.00 0.00 179.01 180.75 2j8x h SER 50 N 0.00 1.00 -0.02 1.04 4.64 -1.96 -3.16 113.55 115.09 2j8x h SER 50 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2j8x h SER 50 Cb 0.95 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2j8x h SER 50 CO 0.06 0.96 -0.11 0.35 -0.87 0.00 0.00 176.83 177.22 2j8x n THR 51 N -4.30 0.00 -3.66 2.95 -2.24 -1.19 -5.00 114.28 100.84 2j8x n THR 51 Ca 0.05 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 2j8x n THR 51 Cb 0.24 1.33 0.04 0.00 -2.10 0.00 0.00 70.33 69.84 2j8x n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2j8x n ASP 52 N 0.71 -2.96 -3.99 3.42 2.03 -0.39 -4.71 116.55 110.66 2j8x n ASP 52 Ca 0.10 -0.88 -0.08 0.00 0.52 0.00 0.00 54.79 54.44 2j8x n ASP 52 Cb 0.43 -3.90 -0.09 0.00 -0.72 0.00 0.00 41.12 36.84 2j8x n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2j8x s GLU 53 N -5.84 0.65 -0.28 -0.67 -1.05 -0.99 -3.22 118.70 107.31 2j8x s GLU 53 Ca 0.20 -1.03 -0.10 0.00 -0.15 0.00 0.00 54.97 53.89 2j8x s GLU 53 Cb -0.06 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 2j8x s GLU 53 CO 0.82 -0.16 0.15 -0.80 0.95 0.00 0.00 175.26 176.23 2j8x s ASN 54 N -2.68 5.68 -0.25 0.83 0.01 -0.82 -1.10 114.94 116.62 2j8x s ASN 54 Ca 0.03 -0.19 -0.17 0.00 -0.71 0.00 0.00 52.86 51.82 2j8x s ASN 54 Cb 0.04 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 2j8x s ASN 54 CO -0.09 -0.09 0.47 -0.69 -1.51 0.00 0.00 177.10 175.20 2j8x s VAL 55 N 1.69 5.11 -0.18 1.60 1.01 0.10 -1.38 120.40 128.36 2j8x s VAL 55 Ca 0.06 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 2j8x s VAL 55 Cb -0.16 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2j8x s VAL 55 CO 0.08 0.13 -0.03 -0.04 0.00 0.00 0.00 175.10 175.25 2j8x s MET 56 N 2.04 1.22 -0.25 2.72 -1.94 0.62 -0.35 119.30 123.37 2j8x s MET 56 Ca 0.20 -0.53 -0.15 0.00 -1.71 0.00 0.00 55.69 53.50 2j8x s MET 56 Cb -0.16 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 2j8x s MET 56 CO 0.09 -0.50 0.36 -1.17 -0.01 0.00 0.00 175.02 173.79 2j8x s LEU 57 N 1.67 4.08 -0.25 -0.03 2.96 0.12 0.98 118.68 128.21 2j8x s LEU 57 Ca -0.00 0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 2j8x s LEU 57 Cb -0.16 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 2j8x s LEU 57 CO -0.07 -0.12 0.21 -0.76 -1.32 0.00 0.00 176.35 174.28 2j8x s LEU 58 N 1.73 4.08 0.15 -0.68 1.43 0.20 -0.89 118.68 124.71 2j8x s LEU 58 Ca 0.15 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2j8x s LEU 58 Cb -0.15 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2j8x s LEU 58 CO 0.09 -0.01 -0.15 -0.89 0.23 0.00 0.00 176.35 175.63 2j8x s THR 59 N 1.38 1.52 0.94 5.49 2.01 -0.33 -0.27 115.64 126.38 2j8x s THR 59 Ca 0.09 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.06 2j8x s THR 59 Cb -0.15 -1.75 0.16 0.00 0.01 0.00 0.00 72.50 70.77 2j8x s THR 59 CO 0.07 -0.47 1.09 -0.94 -0.69 0.00 0.00 174.62 173.68 2j8x s SER 60 N -2.78 2.94 0.96 3.53 1.04 0.81 0.37 113.70 120.56 2j8x s SER 60 Ca 0.14 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.16 2j8x s SER 60 Cb -0.03 -2.33 0.17 0.00 0.10 0.00 0.00 66.02 63.92 2j8x s SER 60 CO 0.04 -3.01 1.09 -0.62 0.98 0.00 0.00 173.24 171.72 2j8x s ASP 61 N -3.05 2.81 0.79 7.02 2.15 -1.23 -3.89 116.67 121.27 2j8x s ASP 61 Ca 0.65 1.66 -0.13 0.00 0.43 0.00 0.00 52.55 55.16 2j8x s ASP 61 Cb -0.20 -2.30 0.07 0.00 -0.30 0.00 0.00 42.92 40.19 2j8x s ASP 61 CO 0.59 -3.08 1.17 0.00 -0.17 0.00 0.00 175.17 173.68 2j8x s ALA 62 N -2.76 1.95 -2.72 3.66 0.00 -1.26 -2.95 121.76 117.68 2j8x s ALA 62 Ca 0.65 0.71 0.26 0.00 0.00 0.00 0.00 51.96 53.58 2j8x s ALA 62 Cb -0.21 -3.44 0.65 0.00 0.00 0.00 0.00 23.12 20.13 2j8x s ALA 62 CO 0.59 -2.11 1.52 -0.35 0.00 0.00 0.00 175.76 175.40 2j8x n PRO 63 N -3.26 1.98 0.00 0.00 -0.04 -1.26 -4.85 135.00 127.57 2j8x n PRO 63 Ca 0.12 -1.42 0.13 0.00 -0.04 0.00 0.00 63.50 62.30 2j8x n PRO 63 Cb 0.51 -1.47 0.45 0.00 -0.04 0.00 0.00 33.50 32.95 2j8x n PRO 63 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2j8x n GLU 64 N 0.73 1.10 -3.12 0.54 0.28 -1.22 -4.95 120.64 114.00 2j8x n GLU 64 Ca 0.17 -0.62 -0.01 0.00 -0.16 0.00 0.00 57.16 56.53 2j8x n GLU 64 Cb 0.47 -1.49 -0.00 0.00 1.43 0.00 0.00 31.44 31.85 2j8x n GLU 64 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2j8x n TYR 65 N -0.41 -0.03 -2.18 -1.84 4.01 -1.15 -4.77 117.16 110.79 2j8x n TYR 65 Ca 0.15 0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.47 2j8x n TYR 65 Cb 0.34 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 2j8x n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2j8x s LYS 66 N -4.05 4.04 0.45 -0.72 2.20 -1.26 -4.58 119.74 115.82 2j8x s LYS 66 Ca 0.01 1.81 -0.25 0.00 -0.36 0.00 0.00 55.97 57.18 2j8x s LYS 66 Cb -0.00 -3.94 -0.09 0.00 -1.51 0.00 0.00 37.83 32.29 2j8x s LYS 66 CO 0.03 -0.99 1.30 -2.30 -0.36 0.00 0.00 175.35 173.03 2j8x n PRO 67 N 7.20 1.92 0.00 4.03 -0.02 -1.26 -0.14 135.00 146.73 2j8x n PRO 67 Ca 0.17 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2j8x n PRO 67 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2j8x n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2j8x n TRP 68 N -0.39 0.00 -3.54 6.00 -0.00 0.63 -4.82 117.44 115.32 2j8x n TRP 68 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.42 2j8x n TRP 68 Cb 0.41 0.11 -0.05 0.00 -0.00 0.00 0.00 31.31 31.77 2j8x n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2j8x s ALA 69 N -1.82 -1.51 -0.14 5.87 0.00 -0.91 0.04 121.76 123.28 2j8x s ALA 69 Ca 0.00 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2j8x s ALA 69 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2j8x s ALA 69 CO 0.00 -0.48 -0.12 -1.17 0.00 0.00 0.00 175.76 173.99 2j8x s LEU 70 N -1.76 2.75 -0.16 0.00 2.96 0.07 0.61 118.68 123.16 2j8x s LEU 70 Ca -0.07 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2j8x s LEU 70 Cb -0.01 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 45.07 2j8x s LEU 70 CO 0.01 0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 2j8x s VAL 71 N 0.53 1.90 -0.21 1.68 1.01 0.27 -0.87 120.40 124.71 2j8x s VAL 71 Ca -0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2j8x s VAL 71 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2j8x s VAL 71 CO 0.04 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 175.07 2j8x s ILE 72 N 1.29 4.42 -0.32 2.22 -1.09 -0.16 -0.27 121.20 127.28 2j8x s ILE 72 Ca 0.03 -0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2j8x s ILE 72 Cb -0.13 -3.02 0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2j8x s ILE 72 CO -0.11 0.40 0.08 -1.58 -1.23 0.00 0.00 174.94 172.50 2j8x s GLN 73 N 1.01 2.79 1.22 2.79 0.74 -0.48 0.17 119.66 127.90 2j8x s GLN 73 Ca 0.03 -1.06 -0.17 0.00 0.05 0.00 0.00 55.36 54.22 2j8x s GLN 73 Cb -0.14 -3.38 0.25 0.00 1.10 0.00 0.00 33.01 30.84 2j8x s GLN 73 CO 0.03 -0.57 0.63 -0.25 -0.55 0.00 0.00 175.29 174.58 2j8x n ASP 74 N 4.81 -2.61 0.04 6.67 10.43 0.19 -1.94 116.55 134.14 2j8x n ASP 74 Ca -0.13 -0.34 0.11 0.00 2.57 0.00 0.00 54.79 56.99 2j8x n ASP 74 Cb 0.46 -1.07 0.45 0.00 1.84 0.00 0.00 41.12 42.81 2j8x n ASP 74 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2j8x n SER 75 N -3.89 0.22 -0.41 -2.24 3.41 -1.20 -2.39 113.62 107.13 2j8x n SER 75 Ca 0.04 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2j8x n SER 75 Cb 0.56 -0.59 0.34 0.00 -0.26 0.00 0.00 64.21 64.25 2j8x n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2j8x n ASN 76 N -1.73 1.47 0.00 4.04 5.03 -1.26 -4.95 115.26 117.87 2j8x n ASN 76 Ca 0.05 -1.24 0.00 0.00 0.87 0.00 0.00 54.58 54.25 2j8x n ASN 76 Cb 0.27 0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 2j8x n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j8x n GLY 77 N 1.31 2.93 3.73 7.41 0.00 -1.01 -5.06 105.19 114.50 2j8x n GLY 77 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2j8x n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j8x n GLU 78 N -0.38 1.43 -4.12 1.61 4.71 -1.26 -4.57 120.64 118.06 2j8x n GLU 78 Ca 0.00 0.54 -0.27 0.00 -0.01 0.00 0.00 57.16 57.41 2j8x n GLU 78 Cb 0.00 -2.53 -0.07 0.00 -1.01 0.00 0.00 31.44 27.84 2j8x n GLU 78 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2j8x s ASN 79 N -1.10 5.24 -0.27 1.62 -0.87 -1.26 0.55 114.94 118.85 2j8x s ASN 79 Ca 0.76 -0.19 0.03 0.00 -1.57 0.00 0.00 52.86 51.88 2j8x s ASN 79 Cb -0.41 -1.29 0.07 0.00 -0.02 0.00 0.00 41.25 39.60 2j8x s ASN 79 CO 0.46 0.10 -0.06 -0.75 -2.57 0.00 0.00 177.10 174.28 2j8x s LYS 80 N -2.86 1.89 -0.06 -0.60 2.20 0.45 -4.94 119.74 115.83 2j8x s LYS 80 Ca 0.29 -1.36 -0.11 0.00 -0.36 0.00 0.00 55.97 54.43 2j8x s LYS 80 Cb -0.10 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 2j8x s LYS 80 CO 0.21 -0.66 0.27 0.42 -0.36 0.00 0.00 175.35 175.23 2j8x s ILE 81 N 1.15 5.27 -0.23 5.43 1.09 -1.26 -0.99 121.20 131.65 2j8x s ILE 81 Ca -0.04 0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 59.98 2j8x s ILE 81 Cb -0.19 -3.56 0.08 0.00 -1.06 0.00 0.00 42.46 37.73 2j8x s ILE 81 CO -0.07 0.59 0.12 -0.75 -0.10 0.00 0.00 174.94 174.74 2j8x s LYS 82 N -1.09 0.14 0.14 2.79 2.20 -0.05 -4.99 119.74 118.88 2j8x s LYS 82 Ca 0.20 -0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 2j8x s LYS 82 Cb -0.14 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.65 2j8x s LYS 82 CO 0.09 -0.84 1.47 -1.64 -0.36 0.00 0.00 175.35 174.07 2j8x s MET 83 N 2.14 4.27 0.00 4.03 -1.94 -1.26 -0.75 119.30 125.79 2j8x s MET 83 Ca 0.06 2.21 0.10 0.00 -1.71 0.00 0.00 55.69 56.34 2j8x s MET 83 Cb -0.16 -3.21 0.08 0.00 2.01 0.00 0.00 34.83 33.55 2j8x s MET 83 CO -0.23 -0.52 0.82 1.28 -0.01 0.00 0.00 175.02 176.36